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4-Ethenyl-7-ethoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (HCID 76626751)|Huagongshe
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Compound
4-Ethenyl-7-ethoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
HCID
76626751
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
C=CC1OC(C)(C)OC2C(OCC)C(=O)OC12
InChIKey
HGSFYYJXKNQPNE-UHFFFAOYSA-N
Molecular formula
C12H18O5
Average molar mass
242.27 g/mol
Names & identifiers
Preferred name
4-Ethenyl-7-ethoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
IUPAC
4-ethenyl-7-ethoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
Database identifiers
PubChem CID
76626751
Properties
Computed structural properties
XLogP
1.2
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
325
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
295416
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
815477
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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